N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide

C14H14FNO — CID 141293031

IUPACN-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide
SMILESO=C(NC1(CF)CCC1)C1=CC=C2C=CC=C21
InChIInChI=1S/C14H14FNO/c15-9-14(7-2-8-14)16-13(17)12-6-5-10-3-1-4-11(10)12/h1,3-6H,2,7-9H2,(H,16,17)
InChIKeyCHNOELSTJXLCPM-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.36
Rot. Bonds3

About N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide

N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide (PubChem CID 141293031) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide
PubChem CID141293031
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC NameN-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide
SMILESO=C(NC1(CF)CCC1)C1=CC=C2C=CC=C21
InChIInChI=1S/C14H14FNO/c15-9-14(7-2-8-14)16-13(17)12-6-5-10-3-1-4-11(10)12/h1,3-6H,2,7-9H2,(H,16,17)
InChIKeyCHNOELSTJXLCPM-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide?
The IUPAC name of N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide (CID 141293031) is N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide.
What is the SMILES notation for N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide?
The canonical SMILES for N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide is O=C(NC1(CF)CCC1)C1=CC=C2C=CC=C21.
What is the InChIKey of N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide?
The InChIKey is CHNOELSTJXLCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c15-9-14(7-2-8-14)16-13(17)12-6-5-10-3-1-4-11(10)12/h1,3-6H,2,7-9H2,(H,16,17).
What are the key properties of N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide?
N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide has a molecular weight of 231.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide is sourced from PubChem (CID 141293031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).